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Predictive Design of Molecular Materials

  • Full or part time
  • Application Deadline
    Applications accepted all year round
  • Funded PhD Project (Students Worldwide)
    Funded PhD Project (Students Worldwide)

Project Description

Us: Our computational modelling group at Bernal Institute University of Limerick is expanding and recruiting talented scientists to join in design of molecular materials. Our designs guide experimental synthesis of molecular crystals and films used in applications ranging from solid state pharmaceuticals to molecular electronic devices, with demonstrated benefit for molecular medicine, energy harvesting, and environmental monitoring. We are currently developing methods that will be used to design high-density, multi-functional molecular devices required for artificial intelligence and the internet of things (

You: Highly motivated scientist with a good honours BSc degree in physical sciences or related discipline (for PhD positions) and a PhD in physical sciences (for postdoc positions). Preference will be given to candidates who can demonstrate high level of expertise in computational chemistry, physics, and/or molecular biology, a strong work ethic, and a strong interest in computational modelling ranging from atom-based quantum mechanics and classical molecular dynamics to more high-throughput informatics and machine learning methods. For postdoc positions, a strong publication record commensurate with career stage, is required, as is an ambitous vision to develop computational models beyond the current state of the art in order to tackle complex problems in synthesis of co-crystals and multi-component pharmaceutical formulations.

Funding Notes

Positions are fully funded.

To apply, send your CV and a cover letter explaining why you want to join the group, to

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